| SpectraBase Compound ID | 3iSdkME2CH0 |
|---|---|
| InChI | InChI=1S/C22H33N5O16S/c1-5-9(28)11(30)12(31)20(39-5)43-16-10(29)6(2)40-21(14(16)33)42-15-7(3-38-44(35,36)37)41-19(13(15)32)27-4-24-8-17(27)25-22(23)26-18(8)34/h4-7,9-16,19-21,28-33H,3H2,1-2H3,(H,35,36,37)(H3,23,25,26,34)/t5-,6-,7+,9+,10+,11+,12-,13+,14-,15+,16+,19+,20-,21-/m1/s1 |
| InChIKey | YPPGEGUXWWGLCS-PKWYFPGZSA-N |
| Mol Weight | 655.6 g/mol |
| Molecular Formula | C22H33N5O16S |
| Exact Mass | 655.164301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8wRj1rkt2Xk |
|---|---|
| Name | #2;[(2R,3R,4S,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-3-(2S,4S,5R)-3,5-DIHYDROXY-6-METHYL-4-(2S,4S,5S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-2H-PYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33N5O16S |
| InChI | InChI=1S/C22H33N5O16S/c1-5-9(28)11(30)12(31)20(39-5)43-16-10(29)6(2)40-21(14(16)33)42-15-7(3-38-44(35,36)37)41-19(13(15)32)27-4-24-8-17(27)25-22(23)26-18(8)34/h4-7,9-16,19-21,28-33H,3H2,1-2H3,(H,35,36,37)(H3,23,25,26,34)/t5-,6-,7+,9+,10+,11+,12-,13+,14-,15+,16+,19+,20-,21-/m1/s1 |
| InChIKey | YPPGEGUXWWGLCS-PKWYFPGZSA-N |
| Literature Reference Author | A.E.TAGGI,J.MEINWALD,F.C.SCHROEDER |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10364(2004) |
| Literature Reference DOI | 10.1021/ja047416n |
| Molecular Weight | 655.588 g/mol |
| Sample ID | 36986 |
| Solvent | D2O |